In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2011 | 23 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(4-methylpiperazin-1-yl)-2-[[4…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.51 | 10.71 | -47.6 | 1 | 6 | 1 | 55 | 332.453 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.51 | 8.35 | -11.27 | 0 | 6 | 0 | 54 | 331.445 | 4 | ↓ |